N-(2-fluoroethyl)-4-(5-(4-methoxyphenyl)thiophen-2-yl)benzenamine | 880495-05-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-(2-fluoroethyl)-4-(5-(4-methoxyphenyl)thiophen-2-yl)benzenamine
• 英文别名: N-(2-fluoroethyl)-4-[5-(4-methoxyphenyl)thiophen-2-yl]aniline
• CAS: 880495-05-6
• 化学式: C₁₉H₁₈FNOS
• 分子量: 327.422
• InChiKey: AXPCASKKVQNPKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  49.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(2-fluoroethyl)-4-(5-(4-methoxyphenyl)thiophen-2-yl)benzenamine 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 4-(5-(4-(2-Fluoroethylamino)phenyl)thiophen-2-yl)phenol
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationship of novel thiophene derivatives for β-amyloid plaque imaging

  摘要：

  Novel 2,5-diphenylthiophene derivatives were synthesized and structure activity relationship with regard to A beta plaque binding was studied. Binding affinities of these compounds were found to range from 3.9 to >1000 nM, depending on the substitution patterns on the phenyl ring. The fluoroethyl-substituted thiophene derivatives showed excellent binding affinities. These compounds may be useful for the development of novel PET tracers for the imaging of beta-amyloid plaques in the brain of patients with Alzheimer's disease. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.055
• 作为产物：
  描述：

  3-氯-3-(4-甲氧基苯基)丙烯醛 在 sodium sulfide 、 potassium carbonate 、 tin(ll) chloride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 30.17h， 生成 N-(2-fluoroethyl)-4-(5-(4-methoxyphenyl)thiophen-2-yl)benzenamine
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationship of novel thiophene derivatives for β-amyloid plaque imaging

  摘要：

  Novel 2,5-diphenylthiophene derivatives were synthesized and structure activity relationship with regard to A beta plaque binding was studied. Binding affinities of these compounds were found to range from 3.9 to >1000 nM, depending on the substitution patterns on the phenyl ring. The fluoroethyl-substituted thiophene derivatives showed excellent binding affinities. These compounds may be useful for the development of novel PET tracers for the imaging of beta-amyloid plaques in the brain of patients with Alzheimer's disease. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.055

文献信息

• Design, synthesis, and structure–activity relationship of novel thiophene derivatives for β-amyloid plaque imaging
  作者：Rajesh Chandra、Mei-Ping Kung、Hank F. Kung

  DOI：10.1016/j.bmcl.2005.11.055

  日期：2006.3

  Novel 2,5-diphenylthiophene derivatives were synthesized and structure activity relationship with regard to A beta plaque binding was studied. Binding affinities of these compounds were found to range from 3.9 to >1000 nM, depending on the substitution patterns on the phenyl ring. The fluoroethyl-substituted thiophene derivatives showed excellent binding affinities. These compounds may be useful for the development of novel PET tracers for the imaging of beta-amyloid plaques in the brain of patients with Alzheimer's disease. (C) 2005 Elsevier Ltd. All rights reserved.